4-(difluoromethoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide

C13H13F2N3O2 — CID 19292356

IUPAC4-(difluoromethoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCn1cc(CNC(=O)c2ccc(OC(F)F)cc2)cn1
InChIInChI=1S/C13H13F2N3O2/c1-18-8-9(7-17-18)6-16-12(19)10-2-4-11(5-3-10)20-13(14)15/h2-5,7-8,13H,6H2,1H3,(H,16,19)
InChIKeyQRBZXWSCATWSBI-UHFFFAOYSA-N
MW281.26 g/mol
LogP1.95
Rot. Bonds5

About 4-(difluoromethoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide

4-(difluoromethoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 19292356) has the molecular formula C13H13F2N3O2 and a molecular weight of 281.26 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID19292356
Molecular FormulaC13H13F2N3O2
Molecular Weight281.26 g/mol
Exact Mass281.10
IUPAC Name4-(difluoromethoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCn1cc(CNC(=O)c2ccc(OC(F)F)cc2)cn1
InChIInChI=1S/C13H13F2N3O2/c1-18-8-9(7-17-18)6-16-12(19)10-2-4-11(5-3-10)20-13(14)15/h2-5,7-8,13H,6H2,1H3,(H,16,19)
InChIKeyQRBZXWSCATWSBI-UHFFFAOYSA-N
XLogP1.95
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Amino-1-(4-methoxybenzoyl)pyrazole-4-carbonitrile
CID 2405928
N-(2-(4-ethoxybenzamido)ethyl)-1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 11857040
1-Cyclohexyl-N-(2-{[(4-ethoxyphenyl)carbonyl]amino}-ethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46884916
1-Benzyl-N-(2-{[(4-ethoxyphenyl)carbonyl]amino}-ethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46884917
3-(4-methoxyphenyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 1244077
4-({1-[(dimethylamino)sulfonyl]-4-piperidinyl}oxy)-N-ethyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 16187695
4-{[1-(2-phenylethyl)piperidin-4-yl]oxy}-N-[2-(1H-pyrazol-1-yl)ethyl]benzamide
CID 16191083
[4-[[1-[(1-Isopropylpyrazol-4-yl)methyl]-4-piperidyl]oxy]phenyl]-pyrrolidino-methanone
CID 24819295
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 3238161
N-(2-{[(4-Ethoxyphenyl)carbonyl]amino}propyl)-1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46885137
N-(2-{[(4-Ethoxyphenyl)carbonyl]amino}-1-methylethyl)-1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46885138
N-[4-(4-methylphenyl)-6-oxo-2-[1-(6,6,6-trifluorohexyl)pyrazol-4-yl]-2-(trifluoromethyl)-1,3-dihydropyridin-5-yl]-4-(trifluoromethoxy)benzamide
CID 122362820

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 19292356) is 4-(difluoromethoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide is Cn1cc(CNC(=O)c2ccc(OC(F)F)cc2)cn1.
What is the InChIKey of 4-(difluoromethoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is QRBZXWSCATWSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O2/c1-18-8-9(7-17-18)6-16-12(19)10-2-4-11(5-3-10)20-13(14)15/h2-5,7-8,13H,6H2,1H3,(H,16,19).
What are the key properties of 4-(difluoromethoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
4-(difluoromethoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 281.26 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 19292356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).